BDBM50448661 CHEMBL3127652

SMILES: Cc1ccc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12

InChI Key: InChIKey=DPGSBSKZDLWRDN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448661   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50448661 (CHEMBL3127652) Show SMILES Cc1ccc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN4S/c1-15-2-6-21(28-15)19-5-7-22(25-24-19)26-11-9-18(10-12-26)27-13-8-16-3-4-17(23)14-20(16)27/h2-7,14,18H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50448661 (CHEMBL3127652) Show SMILES Cc1ccc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN4S/c1-15-2-6-21(28-15)19-5-7-22(25-24-19)26-11-9-18(10-12-26)27-13-8-16-3-4-17(23)14-20(16)27/h2-7,14,18H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair